EcoDrugPlus


Synonyms	Norfluoxetine
Molecule Category	Free-form
UNII	K8D70XE2F4
EPA CompTox	DTXSID80866540
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

Norfluoxetine

Molecule Category

Free-form

UNII

K8D70XE2F4

EPA CompTox

DTXSID80866540

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	WIQRCHMSJFFONW-UHFFFAOYSA-N
Smiles	NCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2
InChI	InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2

InChI Key

WIQRCHMSJFFONW-UHFFFAOYSA-N

Smiles

NCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2

InChI

InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2

Property Name	Value
Molecular Formula	C16H16F3NO
Molecular Weight	295.3
AlogP	3.6
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	35.25
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C16H16F3NO

Molecular Weight

295.3

AlogP

3.6

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

35.25

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	83891-03-6
ChEMBL	CHEMBL1494
FDA SRS	K8D70XE2F4
SureChEMBL	SCHEMBL686500

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

SureChEMBL

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

NORFLUOXETINE

Structure

Physicochemical Descriptors

Cross References